N-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-3-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-3-nitro-1H-pyrazole-5-carboxamide Formula: C16H16N6O3 MolecularWeight: 340.33664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)C3=CC(=NN3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)C3=CC(=NN3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O3/c1-10-15(17-16(23)13-8-14(19-18-13)22(24)25)11(2)21(20-10)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,17,23)(H,18,19)